Molecule

ID:129241

General Information
Structure
MolImage
Molecular Formula
C₂₅H₂₉NO₂
Molecular Mass
375.50326
Exact Mass
375.21982917
Charge
0
InChI
InChI=1S/C25H29NO2/c1-28-25-14-8-5-11-20(25)17-24(27)22-18-26(23-13-7-6-12-21(22)23)16-15-19-9-3-2-4-10-19/h5-8,11-14,18-19H,2-4,9-10,15-17H2,1H3
InChIKey
BSQFBMXCQIKYNI-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1CC(=O)c1cn(c2c1cccc2)CCC1CCCCC1
Isomeric Smiles
COc1ccccc1CC(=O)c1cn(c2c1cccc2)CCC1CCCCC1
Calculated Properties
JChem
Acid pKa
13.449287
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.010898
LogD (pH = 7.4)
6.0108976
Log P
6.010898
Molar Refractivity
114.0521
Polarizability
45.37898
Polar Surface Area
31.23
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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